4-[(5S)-2-oxidanylidene-5-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]pyrrolidin-1-yl]butylsulfanylmethanesulfonic acid

Systemtic Name: 4-[(5S)-2-oxidanylidene-5-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]pyrrolidin-1-yl]butylsulfanylmethanesulfonic acid Openeye Name: 4-[(2S)-2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-5-oxo-pyrrolidin-1-yl]butylsulfanylmethanesulfonic acid CAS Name: [4-[(2S)-2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-5-oxo-1-pyrrolidinyl]butylthio]methanesulfonic acid IUPAC Name: 4-[(2S)-2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-5-oxopyrrolidin-1-yl]butylsulfanylmethanesulfonic acid Traditional Name: [4-[(2S)-2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-5-keto-pyrrolidino]butylthio]methanesulfonic acid Formula: C19H27NO5S2 MolecularWeight: 413.55138

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1C=CC(CC2=CC=CC=C2)O)CCCCSCS(=O)(=O)O

Isomeric SMILES

C1CC(=O)N([C@@H]1/C=C/C(CC2=CC=CC=C2)O)CCCCSCS(=O)(=O)O

InChI

InChI=1S/C19H27NO5S2/c21-18(14-16-6-2-1-3-7-16)10-8-17-9-11-19(22)20(17)12-4-5-13-26-15-27(23,24)25/h1-3,6-8,10,17-18,21H,4-5,9,11-15H2,(H,23,24,25)/b10-8+/t17-,18?/m1/s1